#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfk s SER 2 N 0.00 6.73 -0.96 1.61 0.15 -1.26 -4.99 113.70 114.98 1wfk s SER 2 Ca 0.00 -2.53 -0.23 0.00 0.70 0.00 0.00 55.95 53.90 1wfk s SER 2 Cb 0.00 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 62.12 1wfk s SER 2 CO 0.00 -0.70 1.35 -0.44 1.20 0.00 0.00 173.24 174.65 1wfk s SER 3 N 2.53 6.48 0.87 5.45 0.01 -1.26 -4.99 113.70 122.79 1wfk s SER 3 Ca 0.22 -1.45 -0.10 0.00 1.31 0.00 0.00 55.95 55.92 1wfk s SER 3 Cb -0.09 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.79 1wfk s SER 3 CO -0.09 -1.45 1.20 -0.83 0.41 0.00 0.00 173.24 172.48 1wfk s GLY 4 N 4.54 1.78 -0.51 3.44 0.00 -1.26 -4.93 107.32 110.37 1wfk s GLY 4 Ca 0.41 -1.48 -0.26 0.00 0.00 0.00 0.00 44.72 43.39 1wfk s GLY 4 CO -0.07 -0.77 2.28 -0.56 0.00 0.00 0.00 173.10 173.99 1wfk s SER 5 N -4.85 4.64 -1.02 1.64 0.01 -1.26 -4.89 113.70 107.97 1wfk s SER 5 Ca 0.72 0.94 -0.16 0.00 1.31 0.00 0.00 55.95 58.76 1wfk s SER 5 Cb -0.04 -2.51 0.16 0.00 0.21 0.00 0.00 66.02 63.85 1wfk s SER 5 CO 0.50 -2.75 1.19 -0.94 0.41 0.00 0.00 173.24 171.65 1wfk s SER 6 N 11.21 6.83 0.00 2.44 1.04 -1.26 -4.29 113.70 129.67 1wfk s SER 6 Ca 0.91 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1wfk s SER 6 Cb -0.16 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wfk s SER 6 CO 0.25 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1wfk n GLY 7 N 4.71 0.00 3.41 7.32 0.00 -1.26 -5.11 105.19 114.26 1wfk n GLY 7 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 1wfk n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wfk s MET 8 N 0.00 3.27 0.84 1.61 1.00 -1.26 -5.04 119.30 119.72 1wfk s MET 8 Ca 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 55.69 54.09 1wfk s MET 8 Cb 0.00 -4.45 0.20 0.00 0.00 0.00 0.00 34.83 30.57 1wfk s MET 8 CO 0.00 -1.64 1.11 0.39 0.00 0.00 0.00 175.02 174.88 1wfk n GLU 9 N 6.44 -1.24 -1.55 2.03 -0.58 -1.26 -4.89 120.64 119.59 1wfk n GLU 9 Ca 0.03 -1.72 -0.41 0.00 -0.42 0.00 0.00 57.16 54.65 1wfk n GLU 9 Cb 0.45 -1.18 -0.04 0.00 -0.57 0.00 0.00 31.44 30.10 1wfk n GLU 9 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfk n SER 10 N -3.80 2.49 -3.66 1.62 7.64 -1.26 -4.93 113.62 111.72 1wfk n SER 10 Ca 0.14 -0.11 -0.16 0.00 1.01 0.00 0.00 58.87 59.76 1wfk n SER 10 Cb 0.49 -1.49 -0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1wfk n SER 10 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfk n ARG 11 N 8.79 1.04 -3.33 1.43 1.74 -1.26 -2.62 116.66 122.44 1wfk n ARG 11 Ca 0.37 -2.04 -0.36 0.00 -0.77 0.00 0.00 57.85 55.05 1wfk n ARG 11 Cb 0.44 0.25 -0.06 0.00 -1.02 0.00 0.00 32.46 32.07 1wfk n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n TYR 13 N 0.93 1.41 0.00 0.00 4.19 0.15 -1.96 117.16 121.89 1wfk n TYR 13 Ca -0.06 -0.84 0.00 0.00 3.31 0.00 0.00 57.90 60.31 1wfk n TYR 13 Cb 0.52 -0.49 0.00 0.00 0.49 0.00 0.00 39.34 39.86 1wfk n TYR 13 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wfk n GLY 14 N -0.05 0.00 0.00 2.98 0.00 -1.26 -4.90 105.19 101.96 1wfk n GLY 14 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1wfk n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfk n ALA 16 N -0.88 -0.20 -1.82 0.00 0.00 -0.83 -4.96 120.51 111.82 1wfk n ALA 16 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 1wfk n ALA 16 Cb 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 1wfk n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wfk s VAL 17 N -2.37 4.31 -0.02 0.00 0.11 -1.26 -4.53 120.40 116.64 1wfk s VAL 17 Ca 0.00 1.65 -0.27 0.00 -2.93 0.00 0.00 61.98 60.43 1wfk s VAL 17 Cb 0.00 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1wfk s VAL 17 CO 0.00 -0.04 0.84 -0.75 -3.33 0.00 0.00 175.10 171.83 1wfk s LYS 18 N -2.50 4.51 -0.03 1.54 2.20 -1.26 -0.20 119.74 124.00 1wfk s LYS 18 Ca 0.54 1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 57.02 1wfk s LYS 18 Cb -0.15 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1wfk s LYS 18 CO 0.19 0.04 1.20 -0.06 -0.36 0.00 0.00 175.35 176.36 1wfk s PHE 19 N 0.79 3.22 0.25 4.03 0.08 -1.08 -4.79 117.98 120.49 1wfk s PHE 19 Ca 0.45 1.22 -0.06 0.00 0.12 0.00 0.00 56.93 58.66 1wfk s PHE 19 Cb -0.20 -3.43 -0.02 0.00 -0.57 0.00 0.00 43.02 38.81 1wfk s PHE 19 CO 0.24 -1.33 0.35 0.95 -0.10 0.00 0.00 175.22 175.32 1wfk s THR 20 N 2.01 0.00 0.20 0.64 -4.23 0.18 -4.95 115.64 109.48 1wfk s THR 20 Ca 0.57 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1wfk s THR 20 Cb -0.26 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1wfk s THR 20 CO 0.23 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.68 1wfk n LEU 21 N -0.38 -0.37 -0.02 4.79 4.32 -1.26 0.16 117.00 124.24 1wfk n LEU 21 Ca 0.00 1.32 -0.13 0.00 -0.02 0.00 0.00 56.01 57.18 1wfk n LEU 21 Cb 0.63 -0.36 -0.10 0.00 -1.62 0.00 0.00 43.42 41.97 1wfk n LEU 21 CO 0.28 -1.23 0.60 -0.26 -1.22 0.00 0.00 177.39 175.55 1wfk h PHE 22 N 0.00 -0.00 -3.02 -1.77 -1.00 -1.97 -3.37 116.94 105.80 1wfk h PHE 22 Ca 0.32 -0.00 -0.77 0.00 2.81 0.00 0.00 57.97 60.33 1wfk h PHE 22 Cb 0.51 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 39.84 1wfk h PHE 22 CO -0.62 0.56 0.76 0.21 -1.61 0.00 0.00 178.31 177.61 1wfk s LYS 23 N -3.94 4.07 1.22 1.51 2.47 0.12 -5.04 119.74 120.16 1wfk s LYS 23 Ca -0.16 -2.82 -0.17 0.00 -1.56 0.00 0.00 55.97 51.25 1wfk s LYS 23 Cb 0.01 -4.75 0.26 0.00 -1.46 0.00 0.00 37.83 31.89 1wfk s LYS 23 CO 0.67 -1.47 0.64 1.63 0.16 0.00 0.00 175.35 176.99 1wfk n LYS 24 N 4.12 -2.81 -4.55 4.03 5.02 -0.99 0.52 118.16 123.50 1wfk n LYS 24 Ca 0.27 -0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 55.42 1wfk n LYS 24 Cb 0.42 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 1wfk n LYS 24 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1wfk s GLU 25 N -4.17 3.52 0.30 1.97 2.12 -1.26 -4.25 118.70 116.92 1wfk s GLU 25 Ca 0.62 -0.58 0.10 0.00 0.36 0.00 0.00 54.97 55.47 1wfk s GLU 25 Cb -0.18 -2.80 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 1wfk s GLU 25 CO 0.61 0.26 -0.06 0.71 -0.54 0.00 0.00 175.26 176.25 1wfk s TYR 26 N 0.28 2.52 0.04 5.30 1.51 0.21 -4.95 117.35 122.26 1wfk s TYR 26 Ca -0.06 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1wfk s TYR 26 Cb -0.15 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1wfk s TYR 26 CO 0.04 0.60 -0.15 0.20 -1.11 0.00 0.00 175.55 175.12 1wfk s GLY 27 N -3.64 0.86 0.48 0.71 0.00 -1.26 -0.62 107.32 103.85 1wfk s GLY 27 Ca 0.32 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1wfk s GLY 27 CO 0.18 -0.84 0.70 0.00 0.00 0.00 0.00 173.10 173.14 1wfk n LYS 29 N -2.15 0.35 0.00 0.00 4.76 -1.26 -3.99 118.16 115.88 1wfk n LYS 29 Ca 0.03 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1wfk n LYS 29 Cb 0.58 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1wfk n LYS 29 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1wfk n ASN 30 N -3.02 0.00 0.01 4.39 5.15 -1.26 -4.12 115.26 116.40 1wfk n ASN 30 Ca -0.26 0.61 -0.08 0.00 -0.60 0.00 0.00 54.58 54.25 1wfk n ASN 30 Cb 0.76 -0.29 0.09 0.00 -0.53 0.00 0.00 39.78 39.81 1wfk n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfk n GLY 32 N 0.09 0.62 3.63 0.00 0.00 -1.26 -5.06 105.19 103.22 1wfk n GLY 32 Ca -0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1wfk n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfk s ARG 33 N -4.71 2.02 -0.08 1.61 0.52 -1.26 -4.83 118.95 112.22 1wfk s ARG 33 Ca 0.03 -1.89 -0.23 0.00 -0.52 0.00 0.00 55.73 53.13 1wfk s ARG 33 Cb -0.01 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 1wfk s ARG 33 CO 0.07 0.05 0.69 0.00 0.02 0.00 0.00 175.30 176.13 1wfk s ALA 34 N -2.59 3.36 0.11 2.13 0.00 -1.26 -1.44 121.76 122.06 1wfk s ALA 34 Ca 0.35 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1wfk s ALA 34 Cb 0.03 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1wfk s ALA 34 CO 0.19 -0.13 -0.02 -0.06 0.00 0.00 0.00 175.76 175.73 1wfk s PHE 35 N 0.87 0.88 -0.06 0.00 0.08 0.21 0.31 117.98 120.28 1wfk s PHE 35 Ca 0.37 -1.02 -0.10 0.00 0.12 0.00 0.00 56.93 56.29 1wfk s PHE 35 Cb -0.17 -0.52 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1wfk s PHE 35 CO 0.17 -0.27 0.27 0.00 -0.10 0.00 0.00 175.22 175.29 1wfk n ASN 37 N 1.83 0.14 -0.00 0.00 5.15 -1.26 0.24 115.26 121.37 1wfk n ASN 37 Ca -0.17 0.79 -0.12 0.00 -0.60 0.00 0.00 54.58 54.48 1wfk n ASN 37 Cb 0.54 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.33 1wfk n ASN 37 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1wfk h GLY 38 N 0.00 0.08 1.42 8.20 0.00 -1.94 -3.17 103.07 107.67 1wfk h GLY 38 Ca 0.45 -0.05 -0.29 0.00 0.00 0.00 0.00 47.33 47.44 1wfk h GLY 38 CO -0.32 0.05 -1.27 0.00 0.00 0.00 0.00 176.54 175.00 1wfk n LEU 40 N -3.68 7.71 -1.22 0.00 7.94 1.00 -2.39 117.00 126.35 1wfk n LEU 40 Ca -0.12 -4.67 -0.07 0.00 -1.11 0.00 0.00 56.01 50.04 1wfk n LEU 40 Cb 1.01 -1.34 0.14 0.00 0.53 0.00 0.00 43.42 43.76 1wfk n LEU 40 CO 0.57 1.99 0.39 -1.54 -1.11 0.00 0.00 177.39 177.69 1wfk n SER 41 N 1.62 3.09 -4.23 1.96 3.41 -1.20 -4.71 113.62 113.57 1wfk n SER 41 Ca 0.60 -3.84 -0.13 0.00 -0.26 0.00 0.00 58.87 55.24 1wfk n SER 41 Cb 0.32 -0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1wfk n SER 41 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wfk s PHE 42 N -3.38 1.17 -0.00 7.33 0.40 -1.15 -5.04 117.98 117.31 1wfk s PHE 42 Ca 0.44 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1wfk s PHE 42 Cb 0.39 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1wfk s PHE 42 CO -0.02 -0.06 -0.01 -1.12 0.70 0.00 0.00 175.22 174.71 1wfk s SER 43 N -3.15 0.17 -0.06 1.36 0.01 -1.26 0.10 113.70 110.87 1wfk s SER 43 Ca 0.18 -0.02 -0.28 0.00 1.31 0.00 0.00 55.95 57.14 1wfk s SER 43 Cb 0.04 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.30 1wfk s SER 43 CO 0.01 -0.00 0.62 0.00 0.41 0.00 0.00 173.24 174.28 1wfk s ALA 44 N 0.13 -1.61 -0.09 1.44 0.00 -0.67 -4.88 121.76 116.08 1wfk s ALA 44 Ca -0.01 1.22 -0.35 0.00 0.00 0.00 0.00 51.96 52.82 1wfk s ALA 44 Cb -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.89 1wfk s ALA 44 CO -0.00 -0.35 1.83 1.28 0.00 0.00 0.00 175.76 178.52 1wfk n LEU 45 N 1.12 3.28 -4.50 0.00 4.77 -1.26 -2.56 117.00 117.85 1wfk n LEU 45 Ca -0.19 1.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.43 1wfk n LEU 45 Cb 0.57 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 1wfk n LEU 45 CO 0.22 -0.13 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.17 1wfk s VAL 46 N 3.70 4.32 -2.00 4.08 1.01 -0.32 -4.84 120.40 126.35 1wfk s VAL 46 Ca 0.92 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.82 1wfk s VAL 46 Cb -0.74 -2.97 0.29 0.00 0.00 0.00 0.00 36.38 32.96 1wfk s VAL 46 CO 0.52 0.40 1.05 -0.81 0.00 0.00 0.00 175.10 176.26 1wfk n PRO 47 N 4.29 0.49 -0.05 2.72 -0.04 -1.26 -1.31 135.00 139.83 1wfk n PRO 47 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 1wfk n PRO 47 Cb 0.52 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1wfk n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wfk n ARG 48 N -0.83 1.97 -0.77 0.54 1.74 -1.26 -4.49 116.66 113.56 1wfk n ARG 48 Ca 0.08 -0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1wfk n ARG 48 Cb 0.04 -1.29 0.21 0.00 -1.02 0.00 0.00 32.46 30.40 1wfk n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfk n ALA 49 N -2.36 4.13 -2.28 7.54 0.00 -0.97 -4.86 120.51 121.72 1wfk n ALA 49 Ca -0.16 -1.74 -0.03 0.00 0.00 0.00 0.00 53.44 51.50 1wfk n ALA 49 Cb 0.80 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 19.06 1wfk n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfk n GLY 50 N -0.13 0.29 4.08 0.00 0.00 -1.23 -3.95 105.19 104.25 1wfk n GLY 50 Ca 0.32 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1wfk n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wfk n ASN 51 N -1.45 -1.98 -4.20 1.61 6.94 -0.43 -4.67 115.26 111.09 1wfk n ASN 51 Ca -0.06 -1.20 -0.23 0.00 -0.02 0.00 0.00 54.58 53.07 1wfk n ASN 51 Cb 0.53 -2.14 -0.14 0.00 -2.36 0.00 0.00 39.78 35.67 1wfk n ASN 51 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1wfk s THR 52 N -3.87 1.41 -0.56 5.53 -4.23 -1.21 -4.79 115.64 107.92 1wfk s THR 52 Ca 0.24 -1.09 -0.27 0.00 -1.18 0.00 0.00 61.69 59.39 1wfk s THR 52 Cb -0.12 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 1wfk s THR 52 CO 0.95 0.13 1.70 -1.58 -0.54 0.00 0.00 174.62 175.28 1wfk s GLN 53 N -1.13 2.95 0.28 3.99 0.74 -1.26 -1.17 119.66 124.06 1wfk s GLN 53 Ca 0.05 0.65 0.10 0.00 0.05 0.00 0.00 55.36 56.21 1wfk s GLN 53 Cb -0.08 -4.28 -0.05 0.00 1.10 0.00 0.00 33.01 29.70 1wfk s GLN 53 CO 0.01 -2.35 -0.08 -0.65 -0.55 0.00 0.00 175.29 171.67 1wfk s GLN 54 N 6.34 2.02 -0.39 1.67 -1.52 -1.06 -4.77 119.66 121.96 1wfk s GLN 54 Ca 0.63 -1.61 -0.28 0.00 -1.95 0.00 0.00 55.36 52.16 1wfk s GLN 54 Cb -0.13 -1.97 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 1wfk s GLN 54 CO 0.23 0.31 1.97 0.15 -0.25 0.00 0.00 175.29 177.71 1wfk s LYS 55 N -3.62 2.99 0.30 2.91 -0.14 -1.26 -1.66 119.74 119.25 1wfk s LYS 55 Ca 0.31 1.38 0.10 0.00 -1.36 0.00 0.00 55.97 56.40 1wfk s LYS 55 Cb -0.05 -4.32 -0.05 0.00 -1.68 0.00 0.00 37.83 31.73 1wfk s LYS 55 CO 0.18 -2.27 -0.02 0.14 -0.76 0.00 0.00 175.35 172.62 1wfk s VAL 56 N 8.32 3.00 0.60 3.17 -7.23 0.28 -4.19 120.40 124.35 1wfk s VAL 56 Ca 0.84 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 1wfk s VAL 56 Cb -0.22 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1wfk s VAL 56 CO 0.30 -0.31 1.06 0.00 -0.31 0.00 0.00 175.10 175.85 1wfk n LYS 58 N -2.03 -0.14 0.00 0.00 3.00 -1.01 -0.58 118.16 117.40 1wfk n LYS 58 Ca 0.09 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1wfk n LYS 58 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.14 1wfk n LYS 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1wfk n GLN 59 N -3.68 0.00 -0.36 1.64 7.27 -1.26 -1.22 117.38 119.77 1wfk n GLN 59 Ca 0.01 0.75 -0.05 0.00 0.07 0.00 0.00 57.00 57.78 1wfk n GLN 59 Cb 0.08 -1.23 -0.01 0.00 2.41 0.00 0.00 30.24 31.50 1wfk n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfk h HIS 61 N -0.04 0.38 0.12 0.00 -0.00 0.41 0.41 115.15 116.42 1wfk h HIS 61 Ca 0.27 0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 60.32 1wfk h HIS 61 Cb 0.55 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1wfk h HIS 61 CO -0.87 -0.07 -1.82 1.15 -0.00 0.00 0.00 177.93 176.32 1wfk h THR 62 N 0.14 0.82 -0.78 6.26 2.02 0.26 -3.23 112.91 118.41 1wfk h THR 62 Ca 0.72 -2.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1wfk h THR 62 Cb 2.38 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 71.35 1wfk h THR 62 CO -0.25 0.81 0.33 0.40 0.37 0.00 0.00 175.52 177.19 1wfk h ILE 63 N 0.07 1.25 0.00 3.11 2.04 0.35 1.12 117.51 125.45 1wfk h ILE 63 Ca -0.35 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1wfk h ILE 63 Cb 2.04 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1wfk h ILE 63 CO 0.12 0.32 0.00 -0.07 0.00 0.00 0.00 178.15 178.52 1wfk h LEU 64 N 1.12 0.00 0.00 1.44 3.38 -0.55 -2.95 115.31 117.75 1wfk h LEU 64 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1wfk h LEU 64 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wfk h LEU 64 CO -0.03 0.00 -1.98 0.35 0.09 0.00 0.00 178.44 176.87 1wfk n THR 65 N -3.03 0.20 0.09 0.22 -2.24 -0.73 -4.10 114.28 104.69 1wfk n THR 65 Ca 0.02 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 1wfk n THR 65 Cb 0.41 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1wfk n THR 65 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfk h ARG 66 N 0.00 0.07 0.00 -0.78 0.11 0.13 -3.45 114.38 110.46 1wfk h ARG 66 Ca -0.06 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1wfk h ARG 66 Cb 1.14 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1wfk h ARG 66 CO 0.00 0.88 0.00 0.41 0.10 0.00 0.00 179.97 181.36 1wfk n GLY 67 N 0.88 0.77 3.53 0.08 0.00 -1.12 -5.08 105.19 104.25 1wfk n GLY 67 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1wfk n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfk s SER 68 N 0.20 -0.35 0.12 1.61 0.15 -1.26 -5.06 113.70 109.12 1wfk s SER 68 Ca 0.00 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1wfk s SER 68 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1wfk s SER 68 CO 0.00 -0.67 0.10 -0.44 1.20 0.00 0.00 173.24 173.44 1wfk s SER 69 N -2.55 5.52 1.08 5.45 0.01 -1.26 -4.97 113.70 116.97 1wfk s SER 69 Ca 0.06 -0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 1wfk s SER 69 Cb -0.01 -1.46 0.25 0.00 0.21 0.00 0.00 66.02 65.00 1wfk s SER 69 CO -0.08 0.13 1.24 -0.62 0.41 0.00 0.00 173.24 174.32 1wfk s ASP 70 N -2.71 2.05 0.71 2.44 -1.08 -1.26 -5.01 116.67 111.81 1wfk s ASP 70 Ca 0.30 0.38 -0.15 0.00 -0.52 0.00 0.00 52.55 52.56 1wfk s ASP 70 Cb -0.11 -0.47 0.03 0.00 -1.46 0.00 0.00 42.92 40.90 1wfk s ASP 70 CO 0.23 -3.40 1.19 0.21 0.52 0.00 0.00 175.17 173.91 1wfk s ASN 71 N -4.50 4.41 1.04 -0.34 2.47 -1.26 -5.01 114.94 111.76 1wfk s ASN 71 Ca 0.73 2.28 -0.14 0.00 0.42 0.00 0.00 52.86 56.16 1wfk s ASN 71 Cb -0.06 -2.58 0.21 0.00 -1.45 0.00 0.00 41.25 37.37 1wfk s ASN 71 CO 0.54 -2.11 1.10 0.00 -3.72 0.00 0.00 177.10 172.91 1wfk s ALA 72 N -2.04 0.87 -1.09 1.71 0.00 -1.26 -4.87 121.76 115.08 1wfk s ALA 72 Ca 0.73 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.96 1wfk s ALA 72 Cb -0.27 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1wfk s ALA 72 CO 0.44 -3.00 1.86 0.45 0.00 0.00 0.00 175.76 175.51 1wfk s SER 73 N -3.56 5.46 0.09 0.00 0.15 -1.26 -4.94 113.70 109.64 1wfk s SER 73 Ca 0.66 -1.41 -0.03 0.00 0.70 0.00 0.00 55.95 55.87 1wfk s SER 73 Cb -0.17 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 1wfk s SER 73 CO 0.57 -2.55 0.30 -0.75 1.20 0.00 0.00 173.24 172.01 1wfk s LYS 74 N 6.20 3.55 -0.35 5.44 2.36 -1.26 -4.97 119.74 130.70 1wfk s LYS 74 Ca 0.65 -0.22 -0.32 0.00 -2.55 0.00 0.00 55.97 53.53 1wfk s LYS 74 Cb -0.02 -2.95 -0.14 0.00 -1.05 0.00 0.00 37.83 33.67 1wfk s LYS 74 CO 0.05 0.55 1.26 1.87 1.55 0.00 0.00 175.35 180.63 1wfk n TRP 75 N 0.30 1.06 -3.40 4.03 -0.00 -1.26 -4.87 117.44 113.30 1wfk n TRP 75 Ca -0.05 0.70 -0.38 0.00 -0.00 0.00 0.00 57.50 57.77 1wfk n TRP 75 Cb 0.52 -1.57 -0.06 0.00 -0.00 0.00 0.00 31.31 30.20 1wfk n TRP 75 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wfk s SER 76 N 2.92 6.75 1.01 5.87 1.04 -1.26 -5.08 113.70 124.94 1wfk s SER 76 Ca 0.77 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 1wfk s SER 76 Cb -1.04 -2.27 0.20 0.00 0.10 0.00 0.00 66.02 63.00 1wfk s SER 76 CO 0.53 0.16 1.09 -2.16 0.98 0.00 0.00 173.24 173.84 1wfk s PRO 77 N -0.21 0.33 0.00 4.02 0.04 -1.26 -5.06 135.00 132.86 1wfk s PRO 77 Ca 0.25 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1wfk s PRO 77 Cb -0.16 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wfk s PRO 77 CO 0.12 -2.79 0.00 -0.35 0.04 0.00 0.00 177.00 174.01 1wfk n PRO 78 N -4.22 -0.09 -0.88 0.56 -0.04 -1.26 -4.98 135.00 124.10 1wfk n PRO 78 Ca 0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 1wfk n PRO 78 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.12 1wfk n PRO 78 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wfk n GLN 79 N -0.82 -0.60 -0.18 0.54 0.00 -1.26 -4.60 117.38 110.46 1wfk n GLN 79 Ca 0.00 -0.17 0.12 0.00 -0.00 0.00 0.00 57.00 56.95 1wfk n GLN 79 Cb 0.00 -1.25 0.22 0.00 0.00 0.00 0.00 30.24 29.21 1wfk n GLN 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1wfk n ASN 80 N 1.61 0.04 -2.50 1.69 3.02 -1.26 -4.61 115.26 113.25 1wfk n ASN 80 Ca -0.01 0.90 -0.03 0.00 -0.03 0.00 0.00 54.58 55.41 1wfk n ASN 80 Cb 0.71 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1wfk n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfk n TYR 81 N -4.47 -1.81 -4.00 3.10 9.36 -1.26 -4.79 117.16 113.29 1wfk n TYR 81 Ca 0.16 0.04 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 1wfk n TYR 81 Cb 0.52 -0.99 -0.02 0.00 -0.63 0.00 0.00 39.34 38.22 1wfk n TYR 81 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1wfk s LYS 82 N -4.80 1.99 -0.15 2.98 1.02 -1.26 -5.08 119.74 114.44 1wfk s LYS 82 Ca 0.05 -1.63 -0.09 0.00 0.02 0.00 0.00 55.97 54.32 1wfk s LYS 82 Cb -0.03 0.50 -0.24 0.00 -0.52 0.00 0.00 37.83 37.54 1wfk s LYS 82 CO 0.07 -0.86 0.28 0.43 -0.92 0.00 0.00 175.35 174.35 1wfk n SER 83 N -1.35 2.07 -3.72 2.83 7.64 -1.26 -4.72 113.62 115.11 1wfk n SER 83 Ca -0.02 0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.80 1wfk n SER 83 Cb 0.61 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1wfk n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfk s GLY 84 N -5.55 2.10 0.83 0.23 0.00 -1.26 -5.11 107.32 98.56 1wfk s GLY 84 Ca -0.25 -3.09 -0.11 0.00 0.00 0.00 0.00 44.72 41.28 1wfk s GLY 84 CO 0.72 1.48 1.09 2.56 0.00 0.00 0.00 173.10 178.95 1wfk s PRO 85 N -0.47 1.77 -0.20 2.90 0.04 -1.26 -5.08 135.00 132.70 1wfk s PRO 85 Ca 0.24 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.01 1wfk s PRO 85 Cb -0.10 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1wfk s PRO 85 CO -0.11 -1.94 0.79 -1.54 0.04 0.00 0.00 177.00 174.24 1wfk s SER 86 N -3.41 -0.63 0.17 6.66 1.04 -1.26 -5.18 113.70 111.08 1wfk s SER 86 Ca 0.62 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 1wfk s SER 86 Cb -0.18 0.99 0.01 0.00 0.10 0.00 0.00 66.02 66.94 1wfk s SER 86 CO 0.56 -0.34 0.37 -0.55 0.98 0.00 0.00 173.24 174.26 1wfk s SER 87 N -0.24 -0.07 0.00 7.02 0.15 -1.26 -5.22 113.70 114.08 1wfk s SER 87 Ca -0.03 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1wfk s SER 87 Cb -0.03 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1wfk s SER 87 CO 0.02 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.14